5-[5-[[1-cyclopropyl-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide

C32H28F4N6O5 — CID 85471944

About 5-[5-[[1-cyclopropyl-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide

5-[5-[[1-cyclopropyl-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 85471944) has the molecular formula C32H28F4N6O5 and a molecular weight of 655.62 g/mol. Its IUPAC name is 5-[5-[[1-cyclopropyl-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[[1-cyclopropyl-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
• PubChem CID: 85471944
• Molecular Formula: C32H28F4N6O5
• Molecular Weight: 655.62 g/mol
• Exact Mass: 655.22
• IUPAC Name: 5-[5-[[1-cyclopropyl-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
• SMILES: [2H]C([2H])([2H])Oc1ncc(-c2cc3c(C(=O)NC)c(-c4ccc(F)cc4)oc3nc2CCC(F)(F)F)cc1C(=O)NC(C)(c1ncon1)C1CC1
• InChI: InChI=1S/C32H28F4N6O5/c1-31(18-6-7-18,30-39-15-46-42-30)41-26(43)22-12-17(14-38-28(22)45-3)20-13-21-24(27(44)37-2)25(16-4-8-19(33)9-5-16)47-29(21)40-23(20)10-11-32(34,35)36/h4-5,8-9,12-15,18H,6-7,10-11H2,1-3H3,(H,37,44)(H,41,43)/i3D3
• InChIKey: RVIARRKSIGRDPX-HPRDVNIFSA-N
• XLogP: 6.00
• TPSA: 145.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	655.62
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[5-[[1-cyclopropyl-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?

The IUPAC name of 5-[5-[[1-cyclopropyl-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide (CID 85471944) is 5-[5-[[1-cyclopropyl-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for 5-[5-[[1-cyclopropyl-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for 5-[5-[[1-cyclopropyl-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide is [2H]C([2H])([2H])Oc1ncc(-c2cc3c(C(=O)NC)c(-c4ccc(F)cc4)oc3nc2CCC(F)(F)F)cc1C(=O)NC(C)(c1ncon1)C1CC1.

What is the InChIKey of 5-[5-[[1-cyclopropyl-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?

The InChIKey is RVIARRKSIGRDPX-HPRDVNIFSA-N. The full InChI is InChI=1S/C32H28F4N6O5/c1-31(18-6-7-18,30-39-15-46-42-30)41-26(43)22-12-17(14-38-28(22)45-3)20-13-21-24(27(44)37-2)25(16-4-8-19(33)9-5-16)47-29(21)40-23(20)10-11-32(34,35)36/h4-5,8-9,12-15,18H,6-7,10-11H2,1-3H3,(H,37,44)(H,41,43)/i3D3.

What are the key properties of 5-[5-[[1-cyclopropyl-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?

5-[5-[[1-cyclopropyl-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 655.62 g/mol, XLogP of 6.00, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[[1-cyclopropyl-1-(1,2,4-oxadiazol-3-yl)ethyl]carbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 85471944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).